1-Tert-butyl-4-methoxycyclohexane
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Basic information
- CAS
15875-99-7- Standard SMILES
COC1CCC(C(C)(C)C)CC1- InChIKey
XMLDPBGRPWQRBE-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- 1-Tert-butyl-4-methoxycyclohexane
- IUPAC
- 1-tert-butyl-4-methoxycyclohexane
- English name
- Cyclohexane,1-(1,1-dimethylethyl)-4-methoxy-cis-
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
1-tert-butyl-4-methoxycyclohexane15875-99-715876-31-0Cyclohexane,1-(1,1-dimethylethyl)-4-methoxy-cis-Cyclohexane,1-(1,1-dimethylethyl)-4-methoxy-trans-NSC2226074052-93-0Cyclohexane, 1-(1,1-dimethylethyl)-4-methoxy-, cis-SCHEMBL2720308SCHEMBL2863383Cyclohexane, 1-(1,1-dimethylethyl)-4-methoxy-, trans-SCHEMBL12384730
Show more names
SCHEMBL19272362Anisole, p-tert-butyl- (8CI)DTXSID00935984NSC-22260
Database identifiers
- CAS
15875-99-7、15876-31-0、74052-93-0- PubChem CID
- 139997
- DTXSID
DTXSID00935984- Nikkaji
- J2.962.329E、J603.377F、J699.227G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 190.3 · 190.3±8.0 °C(Predicted)
- Density
- 0.85 · 0.85±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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